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AB INITIO STUDY OF PHASE BOUNDARIES IN NICKEL ALONG THE BCC-FCC TRANSFORMATION PATH
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SYSNO ASEP 0029655 Document Type K - Proceedings Paper (Czech conf.) R&D Document Type Conference Paper Title AB INITIO STUDY OF PHASE BOUNDARIES IN NICKEL ALONG THE BCC-FCC TRANSFORMATION PATH Title Studium fázových hranic v niklu podél transformační dráhy bcc-fcc z prvních principů Author(s) Zelený, M. (CZ)
Legut, Dominik (UFM-A)
Šob, Mojmír (UFM-A) RID, ORCIDSource Title Pracovní setkání fyzikálních chemiků a elektrochemiků /5./. - Brno : Masarykova univerzita, 2005 / Trnková L. ; Janderka P. ; Kizek R. - ISBN 80-210-3637-0
s. 101-103Number of pages 3 s. Action Pracovní setkání fyzikálních chemiků a elektrochemiků /5./ Event date 08.02.2005 VEvent location Brno Country CZ - Czech Republic Event type CST Language eng - English Country CZ - Czech Republic Keywords electronic structure ; magnetism in metals Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GA202/03/1351 GA ČR - Czech Science Foundation (CSF) GD106/05/H008 GA ČR - Czech Science Foundation (CSF) IAA1041302 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z20410507 - UFM-A (2005-2011) Annotation Total energies of nickel as a function of volume and tetragonal deformation for various magnetic phases were calculated and the phase boundary between the FM and NM modifications was found. The calculated contour plots can be used for the understanding and prediction of lattice parameters and magnetic states of Ni(001) films on various metallic substrates. Workplace Institute of Physics of Materials Contact Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Year of Publishing 2006
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